In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AA1 |
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Common Name | PC(10:0/20:4(5Z,8Z,10E,14Z)(12Ke)) |
Systematic Name | 1-decanoyl-2-(12-Oxo-ETE)-sn-glycero-3-phosphocholine |
Synonyms | PC(30:4(Ke)); PC(10:0/20:4(Ke)) |
Exact Mass | |
Formula | C38H66NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | XYTGQXYOIQXYHI-RXAKBNBMSA-N |
InChI | InChI=1S/C38H66NO9P/c1-6-8-10-12-16-21-25-29-37(41)45-33-36(34-47-49(43,44)46-32 -31-39(3,4)5)48-38(42)30-26-22-18-15-14-17-20-24-28-35(40)27-23-19-13-11-9-7-2/h 15,17-20,23-24,28,36H,6-14,16,21-22,25-27,29-34H2,1-5H3/b18-15-,20-17-,23-19-,28 -24+/t36-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\C=C\C(=O)C/C=C\CCCCC)=O) COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |